CID 131750724

3-hydroxychlorpropamide

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₄S

SMILES

CCCNC(=O)NS(=O)(=O)C1=CC(=C(C=C1)Cl)O

InChI

InChI=1S/C10H13ClN2O4S/c1-2-5-12-10(15)13-18(16,17)7-3-4-8(11)9(14)6-7/h3-4,6,14H,2,5H2,1H3,(H2,12,13,15)

InChIKey

RXFPYNAVFFDUJE-UHFFFAOYSA-N

Compound name

1-(4-chloro-3-hydroxyphenyl)sulfonyl-3-propylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 292.02844 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.03572	160.1
[M+Na]+	315.01766	167.6
[M-H]-	291.02116	162.8
[M+NH4]+	310.06226	175.7
[M+K]+	330.99160	162.8
[M+H-H2O]+	275.02570	155.0
[M+HCOO]-	337.02664	173.7
[M+CH3COO]-	351.04229	197.5
[M+Na-2H]-	313.00311	163.2
[M]+	292.02789	164.0
[M]-	292.02899	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe